⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12216243 | 0.76 | — | — | |
| SCHEMBL20609970 | 0.74 | TSHR (0.46) | — | |
| SCHEMBL26318603 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL26318449 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL26316518 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL22569926 | 0.72 | — | — | |
| SCHEMBL85880 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL7971234 | 0.66 | TSHR (0.47) | — | |
| SCHEMBL18848331 | 0.64 | MEN1 (0.31) | — | |
| SCHEMBL23169804 | 0.64 | TSHR (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160320699-A1 | RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-11-03 | — | — | US | disclosed |